Understanding tantalum-catalyzed ethylene trimerization: When things go wrong
Al-Harthi, Mamdouh Ahmed
KAUST DepartmentKAUST Catalysis Center (KCC)
Physical Sciences and Engineering (PSE) Division
Chemical Science Program
KAUST Solar Center (KSC)
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AbstractEthylene oligomerization to linear low-molecular-mass α-olefins is an open industrial challenge. Ta-based catalysts are promising systems, but the unclear understanding of their behavior prevents systematic advances in the field. We demonstrate here that a well-defined (î -SiO)3Ta III species is able to promote ethylene oligo-/polymerization without any cocatalyst, confirming that the active species in Ta systems corresponds to a TaIII species. DFT calculations on a series of Ta systems ranging from ethylene trimerization to ethylene polymerization catalysts highlight the key factors controlling their experimental behavior. Comparison of these Ta systems allows one to set general rules for the rational development of new ethylene Ta oligomerization catalysts. © 2013 American Chemical Society.
SponsorsWe thank SABIC for the generous endowment (to J.M.B.) and for research support (to Y.C.) and the OCRF for the generous support of our studies (E.C.). We appreciate technical cooperation from KAUST, KFUPM, CRP, and CoRE-PRP.
PublisherAmerican Chemical Society (ACS)